ethane;2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane

C14H29F3N2 — CID 145047569

IUPACethane;2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane
SMILESCC.CC.CN1CC2(CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C10H17F3N2.2C2H6/c1-14-6-9(7-14)2-4-15(5-3-9)8-10(11,12)13;2*1-2/h2-8H2,1H3;2*1-2H3
InChIKeyNPTWPXJGCOVYGO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.63
Rot. Bonds1

About ethane;2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane

ethane;2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane (PubChem CID 145047569) has the molecular formula C14H29F3N2 and a molecular weight of 282.39 g/mol. Its IUPAC name is ethane;2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane
PubChem CID145047569
Molecular FormulaC14H29F3N2
Molecular Weight282.39 g/mol
Exact Mass282.23
IUPAC Nameethane;2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane
SMILESCC.CC.CN1CC2(CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C10H17F3N2.2C2H6/c1-14-6-9(7-14)2-4-15(5-3-9)8-10(11,12)13;2*1-2/h2-8H2,1H3;2*1-2H3
InChIKeyNPTWPXJGCOVYGO-UHFFFAOYSA-N
XLogP3.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane?
The IUPAC name of ethane;2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane (CID 145047569) is ethane;2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for ethane;2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for ethane;2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane is CC.CC.CN1CC2(CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of ethane;2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane?
The InChIKey is NPTWPXJGCOVYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2.2C2H6/c1-14-6-9(7-14)2-4-15(5-3-9)8-10(11,12)13;2*1-2/h2-8H2,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane?
ethane;2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane has a molecular weight of 282.39 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 145047569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).